methyl 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C26H25F2N3O2S MolecularWeight: 481.557406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H25F2N3O2S/c1-33-25(32)20-6-12-23(13-7-20)29-26(34)31-16-14-30(15-17-31)24(18-2-8-21(27)9-3-18)19-4-10-22(28)11-5-19/h2-13,24H,14-17H2,1H3,(H,29,34)